chempirical

5-Methylisatin

C9H7NO2CAS 608-05-9161.16 g/mol

Open in Covalent MOL file
OONH
AmideKetoneLactam

Properties

Molecular formula
C9H7NO2
Molar mass
161.16 g/mol
Exact mass
161.0477 Da
Melting point
195–200 °C (decomposes)
logP
1.13Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
608-05-9
SMILES
Cc1ccc2c(c1)C(=O)C(=O)N2
InChIKey
VAJCSPZKMVQIAP-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • 1H-Indole-2,3-dione, 5-methyl-
  • Indole-2,3-dione, 5-methyl-
  • Isatin, 5-methyl-
  • 5-Methyl-1H-indole-2,3-dione
  • 5-Methylindole-2,3-dione
  • 5-Methyl-2,3-indolinedione
  • NSC 9398
  • 5-Methyl-2,3-dihydro-2,3-dioxoindole

Work with 5-Methylisatin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Chloroisatin17630-76-160 % similar 5-Iodoisatin20780-76-160 % similar 5-Bromoisatin87-48-960 % similar 5-Methoxyisatin39755-95-859 % similar Isatin91-56-556 % similar 5,7-Dimethylisatin39603-24-254 % similar 5-Nitroisatin611-09-653 % similar 4-Methylphthalic anhydride19438-61-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Phenyl-5(4H)-isoxazolone1076-59-1 8-Hydroxyquinoline N-oxide1127-45-3 7-Methylisatin1127-59-9 Methyl 4-cyanobenzoate1129-35-7 Azlactone1199-01-5 Methyl m-cyanobenzoate13531-48-1 Indole-2-carboxylic acid1477-50-5 8-Hydroxy-1H-quinolin-2-one15450-76-7

Elsewhere

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